1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea

C10H21N3O — CID 115267413

IUPAC1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
SMILESCNCC1(CNC(=O)NC(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-8(2)13-9(14)12-7-10(4-5-10)6-11-3/h8,11H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyUFBIKBCYLNAXFP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds5

About 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea

1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea (PubChem CID 115267413) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
PubChem CID115267413
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea
SMILESCNCC1(CNC(=O)NC(C)C)CC1
InChIInChI=1S/C10H21N3O/c1-8(2)13-9(14)12-7-10(4-5-10)6-11-3/h8,11H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyUFBIKBCYLNAXFP-UHFFFAOYSA-N
XLogP0.69
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(6-methylheptan-2-yl)urea
CID 111618340
1-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 163004834
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-[(3-hydroxythiolan-3-yl)methyl]-3-propan-2-ylurea
CID 111597399
1-(5,5-dimethylhexan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618934

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea (CID 115267413) is 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea is CNCC1(CNC(=O)NC(C)C)CC1.
What is the InChIKey of 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea?
The InChIKey is UFBIKBCYLNAXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)13-9(14)12-7-10(4-5-10)6-11-3/h8,11H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea?
1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea has a molecular weight of 199.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylaminomethyl)cyclopropyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 115267413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).